SCHEMBL23608973

SCHEMBL23608973

CCCC(C)NCc1cncnc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.32
▸ KMT2A Q03164 3/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ HRH3 Q9Y5N1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21763585 0.80 CYP1A2 (0.53) POLBKMT2ASMN1; SMN2CYP2D6ALDH1A1
SCHEMBL19954195 0.80 CYP1A2 (0.53) POLBKMT2ASMN1; SMN2CYP2D6ALDH1A1
SCHEMBL6641420 0.78 KCNH2 (0.40) SIGMAR1KCNH2HRH3
SCHEMBL172531 0.73 SIGMAR1 (0.66) SIGMAR1LMNAMAPTMAPK1POLB
SCHEMBL20824910 0.72 SMN1; SMN2 (0.50) SIGMAR1MAPTMAPK1POLBBCHE
Hydrochloric Acid SCHEMBL27619587 0.72 SIGMAR1 (0.63) SIGMAR1LMNAMAPTMAPK1POLB
SCHEMBL21799832 0.70 SIGMAR1 (0.43) SIGMAR1BCHEKCNH2TMEM97KMT2A
SCHEMBL9127520 0.70 KCNH2 (0.59) SIGMAR1POLBBCHEKCNH2TMEM97
SCHEMBL10559849 0.69 TDP1 (0.55) LMNAMAPTKMT2ASMN1; SMN2CYP2D6
SCHEMBL16221899 0.69 VNN1 (0.41) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-07-01 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210198254-A1 BENZYL AMINE-CONTAINING HETEROCYCLIC COMPOUNDS AND COMPOSITIONS USEFUL AGAINST MYCOBACTERIAL INFECTION BET1, BRD4, BRD3 SIGMAR1 3175/4885LMNA 1620/4885MAPT 2175/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback